Geometry & MOs

Info

ID:

386471

PubChem CID:

134981860

Reduced:

NSiI2O2C20H29 (1)

Stoich.:

ABC2D2E20F29 (1)

Weight, g/mol:

726.288756

ΔHf, kcal/mol:

-54.18

Dipole, Da:

5.6

IP(EA), eV:

 -9.27(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,3S,4S,5R,6R,7R)-1-[(4R,5R)-4-acetyloxy-5-methyl-6-phenylhexyl]-4,7-dihydroxy-6-[(E,6R)-6-methyl-7-phenylhept-4-enoyl]oxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid

Drug info:

PubChemData

Smile

CCN(CC)C(=O)/C(=C(\[Si](C)(C)C)/I)/C=C(/COCC1=CC=CC=C1)\I

DOS

IR

Vibrations